1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C24H20N4O2S — CID 59128684

IUPAC1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Cc4ccccc4)cc23)cn1
InChIInChI=1S/C24H20N4O2S/c1-27-16-20(15-26-27)23-17-28(31(29,30)21-10-6-3-7-11-21)24-22(23)13-19(14-25-24)12-18-8-4-2-5-9-18/h2-11,13-17H,12H2,1H3
InChIKeyYUBZNZAJWBORLZ-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.26
Rot. Bonds5

About 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 59128684) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID59128684
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Cc4ccccc4)cc23)cn1
InChIInChI=1S/C24H20N4O2S/c1-27-16-20(15-26-27)23-17-28(31(29,30)21-10-6-3-7-11-21)24-22(23)13-19(14-25-24)12-18-8-4-2-5-9-18/h2-11,13-17H,12H2,1H3
InChIKeyYUBZNZAJWBORLZ-UHFFFAOYSA-N
XLogP4.26
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 59128684) is 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Cc4ccccc4)cc23)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is YUBZNZAJWBORLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-27-16-20(15-26-27)23-17-28(31(29,30)21-10-6-3-7-11-21)24-22(23)13-19(14-25-24)12-18-8-4-2-5-9-18/h2-11,13-17H,12H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 428.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59128684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).